(1-azanyl-1-oxidanylidene-propan-2-yl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C(=O)N)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H21ClN2O5S/c1-11(15(18)20)24-16(21)12-6-7-13(17)14(10-12)25(22,23)19-8-4-2-3-5-9-19/h6-7,10-11H,2-5,8-9H2,1H3,(H2,18,20)